5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide

C16H20N4O3S2 — CID 8762613

IUPAC5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/C16H20N4O3S2/c1-19(2)25(22,23)12-5-6-14(20-8-3-4-9-20)13(11-12)15(21)18-16-17-7-10-24-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18,21)
InChIKeyTUFPXVPLOXZIMZ-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.25
Rot. Bonds5

About 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide

5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 8762613) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID8762613
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nccs2)c1
InChIInChI=1S/C16H20N4O3S2/c1-19(2)25(22,23)12-5-6-14(20-8-3-4-9-20)13(11-12)15(21)18-16-17-7-10-24-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18,21)
InChIKeyTUFPXVPLOXZIMZ-UHFFFAOYSA-N
XLogP2.25
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 449003
5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
CID 134169687
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CID 162369728
N-(Benzo[d]thiazol-2-yl)-5-(N,N-dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzamide
CID 2529879
3-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 5817814
2-amino-5-(1-methyl-1H-imidazol-2-ylthio)-N-(4-methylthiazol-2-yl)benzamide
CID 44564989
3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398103
2-amino-N-(1,3-thiazol-2-yl)benzamide
CID 847246
3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide
CID 1101752
2-[(phenylacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 1230956

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide (CID 8762613) is 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2nccs2)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is TUFPXVPLOXZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-19(2)25(22,23)12-5-6-14(20-8-3-4-9-20)13(11-12)15(21)18-16-17-7-10-24-16/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide?
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 380.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 8762613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).